2-[2-(4-pyrazin-2-ylpyrimidin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-[2-(4-pyrazin-2-ylpyrimidin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 2-[[2-(4-pyrazin-2-ylpyrimidin-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 2-[[1-oxo-2-[[4-(2-pyrazinyl)-2-pyrimidinyl]thio]ethyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-pyrazin-2-ylpyrimidin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 2-[[2-[(4-pyrazin-2-ylpyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CSC2=NC=CC(=N2)C3=NC=CN=C3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CSC2=NC=CC(=N2)C3=NC=CN=C3

InChI

InChI=1S/C17H13N5O3S/c23-15(21-12-4-2-1-3-11(12)16(24)25)10-26-17-20-6-5-13(22-17)14-9-18-7-8-19-14/h1-9H,10H2,(H,21,23)(H,24,25)